Materials Data on TmZnSn by Materials Project

Abstract

TmZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Tm–Zn bond lengths are 2.95 Å. All Tm–Sn bond lengths are 3.37 Å. In the second Tm site, Tm is bonded to six equivalent Zn and six equivalent Sn atoms to form distorted face-sharing TmZn6Sn6 octahedra. All Tm–Zn bond lengths are 3.57 Å. All Tm–Sn bond lengths are 3.11 Å. Zn is bonded in a 10-coordinate geometry to six Tm, one Zn, and three equivalent Sn atoms. The Zn–Zn bond length is 2.78 Å. All Zn–Sn bond lengths are 2.71 Å. Sn is bonded in a 6-coordinate geometry to six Tm and three equivalent Zn atoms.